Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester
TL;DR: Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester (CAS 682-42-8) is a chemical compound with molecular formula C10H20Cl3O4P and molecular weight 340.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2,2,2-trichloroethyl phosphate
Also Known As: Dibutyl trichloroethyl phosphate, dibutyl 2,2,2-trichloroethyl phosphate, Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester, dibutyl (2,2,2-trichloroethyl) phosphate, Phosphoricaciddibutyl2,2,2-trichloroethylester
| Molecular Formula | C10H20Cl3O4P |
|---|---|
| Molecular Weight | 340.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 340.01648 |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 682-42-8 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)OCC(Cl)(Cl)Cl |
| InChIKey | NWKDLFNTFHPZNO-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester (CAS 682-42-8), with molecular formula C10H20Cl3O4P and molecular weight 340.02 g/mol. IUPAC: dibutyl 2,2,2-trichloroethyl phosphate.
Chemical Property Profile of Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester
Property Insights of Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester
The XLogP value of 3.9 indicates that Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester?
The CAS number of Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester is 682-42-8.
What is the molecular formula of Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester?
The molecular formula of Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester is C10H20Cl3O4P.
What is the molecular weight of Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester?
The molecular weight of Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester is 340.02 g/mol.
Where can I buy Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester?
You can request a quote for Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, dibutyl 2,2,2-trichloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.